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Compound Detail

CHEMBL5094700

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O=C(Nc1ccccc1/C=C/c1ccc([N+](=O)[O-])cc1)c1cccnn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5094700
Phase Preclinical
Structure Type MOL
InChI Key IZRQEOAPAXBUSZ-JXMROGBWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.81
ALogP
5
HBA
1
HBD
98.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N4O3
MW 346.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
34624824 10.1016/j.ejmech.2021.113887 Alpha-synuclein 1

Data from ChEMBL 36 via Core Engine